Spektraris NMR
Sinulaflexiolide C
Common Name: Sinulaflexiolide C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O8/c1-13-15-6-11-22(5,30-19(13)26)16(24)7-9-21(4,28)18(29-14(2)23)8-10-20(3,27)17(25)12-15/h15,17-18,25,27-28H,1,6-12H2,2-5H3/t15-,17-,18-,20+,21+,22-/m1/s1
InChIKey: InChIKey=XNUSUQRFMUYLKV-IMSYYPLYSA-N
Formula: C22H34O8
Molecular Weight: 426.501415
Exact Mass: 426.225368
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wen, T., Ding, Y., Deng, Z., van Ofwegen, L., Proksch, P., Lin, W. J Nat Prod (2008) 71, 1133-40
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 32.7 |
| 2 (CH2) | 31.1 |
| 3 (CH2) | 34.2 |
| 4 (C) | 90 |
| 5 (C) | 210 |
| 6 (CH2) | 29.4 |
| 7 (CH2) | 34.4 |
| 8 (C) | 76 |
| 9 (CH) | 77.6 |
| 10 (CH2) | 21.7 |
| 11 (CH2) | 34.5 |
| 12 (C) | 77 |
| 13 (CH) | 75.3 |
| 14 (CH2) | 38.2 |
| 15 (C) | 144 |
| 16 (C) | 169 |
| 17 (CH2) | 124.9 |
| 18 (CH3) | 29.6 |
| 19 (CH3) | 20.3 |
| 20 (CH3) | 18.8 |
| 9a (C) | 171 |
| 9b (CH3) | 21.3 |
